Statistical Learning
Routing for Large ML Models
Cohen, Ofir, Schapira, Jose Yallouz Michael, Belkar, Shahar, Mizrahi, Tal
The communication Our aim is to devise methodologies for the online adaptation patterns induced by these training process exhibit of routing configurations in ML training clusters that high regularity and persistence, giving rise to significant improve global training efficiency and fairness. Our approach opportunities for optimizing the manner in which flows are builds on two characteristics of ML training and modern networking: routed across the network. We present an algorithmic framework for quantifying network-wide efficiency in the context of training LLMs (and other large-scale ML models), and for periodically optimizing routing with respect to this global Traffic patterns induced by ML training tend to exhibit metric.
An Analytical Model for Overparameterized Learning Under Class Imbalance
We study class-imbalanced linear classification in a high-dimensional Gaussian mixture model. We develop a tight, closed form approximation for the test error of several practical learning methods, including logit adjustment and class dependent temperature. Our approximation allows us to analytically tune and compare these methods, highlighting how and when they overcome the pitfalls of standard cross-entropy minimization. We test our theoretical findings on simulated data and imbalanced CIFAR10, MNIST and FashionMNIST datasets.
Robustness of Generalized Median Computation for Consensus Learning in Arbitrary Spaces
Nienkรถtter, Andreas, Vega-Pons, Sandro, Jiang, Xiaoyi
Robustness in terms of outliers is an important topic and has been formally studied for a variety of problems in machine learning and computer vision. Generalized median computation is a special instance of consensus learning and a common approach to finding prototypes. Related research can be found in numerous problem domains with a broad range of applications. So far, however, robustness of generalized median has only been studied in a few specific spaces. To our knowledge, there is no robustness characterization in a general setting, i.e. for arbitrary spaces. We address this open issue in our work. The breakdown point >=0.5 is proved for generalized median with metric distance functions in general. We also study the detailed behavior in case of outliers from different perspectives. In addition, we present robustness results for weighted generalized median computation and non-metric distance functions. Given the importance of robustness, our work contributes to closing a gap in the literature. The presented results have general impact and applicability, e.g. providing deeper understanding of generalized median computation and practical guidance to avoid non-robust computation.
phepy: Visual Benchmarks and Improvements for Out-of-Distribution Detectors
Tyree, Juniper, Rupp, Andreas, Clusius, Petri S., Boy, Michael H.
Applying machine learning to increasingly high-dimensional problems with sparse or biased training data increases the risk that a model is used on inputs outside its training domain. For such out-of-distribution (OOD) inputs, the model can no longer make valid predictions, and its error is potentially unbounded. Testing OOD detection methods on real-world datasets is complicated by the ambiguity around which inputs are in-distribution (ID) or OOD. We design a benchmark for OOD detection, which includes three novel and easily-visualisable toy examples. These simple examples provide direct and intuitive insight into whether the detector is able to detect (1) linear and (2) non-linear concepts and (3) identify thin ID subspaces (needles) within high-dimensional spaces (haystacks). We use our benchmark to evaluate the performance of various methods from the literature. Since tactile examples of OOD inputs may benefit OOD detection, we also review several simple methods to synthesise OOD inputs for supervised training. We introduce two improvements, $t$-poking and OOD sample weighting, to make supervised detectors more precise at the ID-OOD boundary. This is especially important when conflicts between real ID and synthetic OOD sample blur the decision boundary. Finally, we provide recommendations for constructing and applying out-of-distribution detectors in machine learning.
Passive Heart Rate Monitoring During Smartphone Use in Everyday Life
Liao, Shun, Di Achille, Paolo, Wu, Jiang, Borac, Silviu, Wang, Jonathan, Liu, Xin, Teasley, Eric, Cai, Lawrence, Liu, Yun, McDuff, Daniel, Su, Hao-Wei, Winslow, Brent, Pathak, Anupam, Patel, Shwetak, Taylor, James A., Rogers, Jameson K., Poh, Ming-Zher
Resting heart rate (RHR) is an important biomarker of cardiovascular health and mortality, but tracking it longitudinally generally requires a wearable device, limiting its availability. We present PHRM, a deep learning system for passive heart rate (HR) and RHR measurements during everyday smartphone use, using facial video-based photoplethysmography. Our system was developed using 225,773 videos from 495 participants and validated on 185,970 videos from 205 participants in laboratory and free-living conditions, representing the largest validation study of its kind. Compared to reference electrocardiogram, PHRM achieved a mean absolute percentage error (MAPE) < 10% for HR measurements across three skin tone groups of light, medium and dark pigmentation; MAPE for each skin tone group was non-inferior versus the others. Daily RHR measured by PHRM had a mean absolute error < 5 bpm compared to a wearable HR tracker, and was associated with known risk factors. These results highlight the potential of smartphones to enable passive and equitable heart health monitoring.
Transformers for molecular property prediction: Domain adaptation efficiently improves performance
Sultan, Afnan, Rausch-Dupont, Max, Khan, Shahrukh, Kalinina, Olga, Volkamer, Andrea, Klakow, Dietrich
Most of the current transformer-based chemical language models are pre-trained on millions to billions of molecules. However, the improvement from such scaling in dataset size is not confidently linked to improved molecular property prediction. The aim of this study is to investigate and overcome some of the limitations of transformer models in predicting molecular properties. Specifically, we examine the impact of pre-training dataset size and diversity on the performance of transformer models and investigate the use of domain adaptation as a technique for improving model performance. First, our findings indicate that increasing pretraining dataset size beyond 400K molecules from the GuacaMol dataset does not result in a significant improvement on four ADME endpoints, namely, solubility, permeability, microsomal stability, and plasma protein binding. Second, our results demonstrate that using domain adaptation by further training the transformer model on a small set of domain-relevant molecules, i.e., a few hundred to a few thousand, using multi-task regression of physicochemical properties was sufficient to significantly improve performance for three out of the four investigated ADME endpoints (P-value < 0.001). Finally, we observe that a model pre-trained on 400K molecules and domain adopted on a few hundred/thousand molecules performs similarly (P-value > 0.05) to more complicated transformer models like MolBERT(pre-trained on 1.3M molecules) and MolFormer (pre-trained on 100M molecules). A comparison to a random forest model trained on basic physicochemical properties showed similar performance to the examined transformer models. We believe that current transformer models can be improved through further systematic analysis of pre-training and downstream data, pre-training objectives, and scaling laws, ultimately leading to better and more helpful models.
Transformer Meets Twicing: Harnessing Unattended Residual Information
Abdullaev, Laziz, Nguyen, Tan M.
Transformer-based deep learning models have achieved state-of-the-art performance across numerous language and vision tasks. While the self-attention mechanism, a core component of transformers, has proven capable of handling complex data patterns, it has been observed that the representational capacity of the attention matrix degrades significantly across transformer layers, thereby hurting its overall performance. In this work, we leverage the connection between selfattention computations and low-pass non-local means (NLM) smoothing filters and propose the Twicing Attention, a novel attention mechanism that uses kernel twicing procedure in nonparametric regression to alleviate the low-pass behavior of associated NLM smoothing with compelling theoretical guarantees and enhanced adversarial robustness. This approach enables the extraction and reuse of meaningful information retained in the residuals following the imperfect smoothing operation at each layer. Our proposed method offers two key advantages over standard self-attention: 1) a provably slower decay of representational capacity and 2) improved robustness and accuracy across various data modalities and tasks. We empirically demonstrate the performance gains of our model over baseline transformers on multiple tasks and benchmarks, including image classification and language modeling, on both clean and corrupted data. They have also demonstrated strong performance in knowledge transfer from pretraining tasks to various downstream tasks with weak or no supervision (Radford et al., 2018; 2019; Devlin et al., 2018). At the core of these models is the dot-product self-attention mechanism, which learns self-alignment between tokens in an input sequence by estimating the relative importance of each token with respect to all others. The mechanism then transforms each token into a weighted average of the feature representations of the other tokens with weights proportional to the learned importance scores.
RURANET++: An Unsupervised Learning Method for Diabetic Macular Edema Based on SCSE Attention Mechanisms and Dynamic Multi-Projection Head Clustering
Yang, Wei, Zhu, Yiran, Shen, Jiayu, Tang, Yuhan, Pan, Chengchang, He, Hui, Su, Yan, Qi, Honggang
Diabetic Macular Edema (DME), a prevalent complication among diabetic patients, constitutes a major cause of visual impairment and blindness. Although deep learning has achieved remarkable progress in medical image analysis, traditional DME diagnosis still relies on extensive annotated data and subjective ophthalmologist assessments, limiting practical applications. To address this, we present RURANET++, an unsupervised learning-based automated DME diagnostic system. This framework incorporates an optimized U-Net architecture with embedded Spatial and Channel Squeeze & Excitation (SCSE) attention mechanisms to enhance lesion feature extraction. During feature processing, a pre-trained GoogLeNet model extracts deep features from retinal images, followed by PCA-based dimensionality reduction to 50 dimensions for computational efficiency. Notably, we introduce a novel clustering algorithm employing multi-projection heads to explicitly control cluster diversity while dynamically adjusting similarity thresholds, thereby optimizing intra-class consistency and inter-class discrimination. Experimental results demonstrate superior performance across multiple metrics, achieving maximum accuracy (0.8411), precision (0.8593), recall (0.8411), and F1-score (0.8390), with exceptional clustering quality. This work provides an efficient unsupervised solution for DME diagnosis with significant clinical implications.
Randomized Quasi-Monte Carlo Features for Kernel Approximation
We investigate the application of randomized quasi-Monte Carlo (RQMC) methods in random feature approximations for kernel-based learning. Compared to the classical Monte Carlo (MC) approach \citep{rahimi2007random}, RQMC improves the deterministic approximation error bound from $O_P(1/\sqrt{n})$ to $O(1/M)$ (up to logarithmic factors), matching the rate achieved by quasi-Monte Carlo (QMC) methods \citep{huangquasi}. Beyond the deterministic error bound guarantee, we further establish additional average error bounds for RQMC features: some requiring weaker assumptions and others significantly reducing the exponent of the logarithmic factor. In the context of kernel ridge regression, we show that RQMC features offer computational advantages over MC features while preserving the same statistical error rate. Empirical results further show that RQMC methods maintain stable performance in both low and moderately high-dimensional settings, unlike QMC methods, which suffer from significant performance degradation as dimension increases.
Nearly Optimal Differentially Private ReLU Regression
Ding, Meng, Lei, Mingxi, Wang, Shaowei, Zheng, Tianhang, Wang, Di, Xu, Jinhui
In this paper, we investigate one of the most fundamental nonconvex learning problems, ReLU regression, in the Differential Privacy (DP) model. Previous studies on private ReLU regression heavily rely on stringent assumptions, such as constant bounded norms for feature vectors and labels. We relax these assumptions to a more standard setting, where data can be i.i.d. sampled from $O(1)$-sub-Gaussian distributions. We first show that when $\varepsilon = \tilde{O}(\sqrt{\frac{1}{N}})$ and there is some public data, it is possible to achieve an upper bound of $\Tilde{O}(\frac{d^2}{N^2 \varepsilon^2})$ for the excess population risk in $(\epsilon, \delta)$-DP, where $d$ is the dimension and $N$ is the number of data samples. Moreover, we relax the requirement of $\epsilon$ and public data by proposing and analyzing a one-pass mini-batch Generalized Linear Model Perceptron algorithm (DP-MBGLMtron). Additionally, using the tracing attack argument technique, we demonstrate that the minimax rate of the estimation error for $(\varepsilon, \delta)$-DP algorithms is lower bounded by $\Omega(\frac{d^2}{N^2 \varepsilon^2})$. This shows that DP-MBGLMtron achieves the optimal utility bound up to logarithmic factors. Experiments further support our theoretical results.